5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde

C74H104BBrN12O10Si4 — CID 159913069

About 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde

5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde (PubChem CID 159913069) has the molecular formula C74H104BBrN12O10Si4 and a molecular weight of 1524.78 g/mol. Its IUPAC name is 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde
• PubChem CID: 159913069
• Molecular Formula: C74H104BBrN12O10Si4
• Molecular Weight: 1524.78 g/mol
• Exact Mass: 1522.64
• IUPAC Name: 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde
• SMILES: COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cncc(C=O)c4C)cc13)n2COCC[Si](C)(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc13)n2COCC[Si](C)(C)C.Cc1c(Br)cncc1C=O
• InChI: InChI=1S/C34H46N6O4Si2.C33H52BN5O5Si2.C7H6BrNO/c1-24-27(20-41)17-35-19-29(24)26-16-28-32(38-40(33(28)36-18-26)23-44-13-15-46(6,7)8)34-37-31-25(21-42-2)10-9-11-30(31)39(34)22-43-12-14-45(3,4)5;1-32(2)33(3,4)44-34(43-32)25-19-26-29(37-39(30(26)35-20-25)23-42-16-18-46(9,10)11)31-36-28-24(21-40-5)13-12-14-27(28)38(31)22-41-15-17-45(6,7)8;1-5-6(4-10)2-9-3-7(5)8/h9-11,16-20H,12-15,21-23H2,1-8H3;12-14,19-20H,15-18,21-23H2,1-11H3;2-4H,1H3
• InChIKey: NXKREYCVFMFYAH-UHFFFAOYSA-N
• XLogP: 15.89
• TPSA: 230.82 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1524.78
LogP ≤ 5	15.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The IUPAC name of 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde (CID 159913069) is 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde.

What is the SMILES notation for 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The canonical SMILES for 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde is COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(-c4cncc(C=O)c4C)cc13)n2COCC[Si](C)(C)C.COCc1cccc2c1nc(-c1nn(COCC[Si](C)(C)C)c3ncc(B4OC(C)(C)C(C)(C)O4)cc13)n2COCC[Si](C)(C)C.Cc1c(Br)cncc1C=O.

What is the InChIKey of 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

The InChIKey is NXKREYCVFMFYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N6O4Si2.C33H52BN5O5Si2.C7H6BrNO/c1-24-27(20-41)17-35-19-29(24)26-16-28-32(38-40(33(28)36-18-26)23-44-13-15-46(6,7)8)34-37-31-25(21-42-2)10-9-11-30(31)39(34)22-43-12-14-45(3,4)5;1-32(2)33(3,4)44-34(43-32)25-19-26-29(37-39(30(26)35-20-25)23-42-16-18-46(9,10)11)31-36-28-24(21-40-5)13-12-14-27(28)38(31)22-41-15-17-45(6,7)8;1-5-6(4-10)2-9-3-7(5)8/h9-11,16-20H,12-15,21-23H2,1-8H3;12-14,19-20H,15-18,21-23H2,1-11H3;2-4H,1H3.

What are the key properties of 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde?

5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde has a molecular weight of 1524.78 g/mol, XLogP of 15.89, 30 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-methylpyridine-3-carbaldehyde;2-[[4-(methoxymethyl)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;5-[3-[4-(methoxymethyl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 159913069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).